Debug Info

object
{15}
_id
:
JHnHrhsYyp6
spectrumID
:
JHnHrhsYyp6
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WDD1X:12229:1
hasStructureAssignments
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properties
{19}
analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
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false

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4-MEC TFA
SpectraBase Compound ID 5SvJ8b7h8Wi
InChI InChI=1S/C14H16F3NO2/c1-4-18(13(20)14(15,16)17)10(3)12(19)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChIKey SUNKATVXNWARHS-UHFFFAOYSA-N
Mol Weight 287.28 g/mol
Molecular Formula C14H16F3NO2
Exact Mass 287.113313 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHnHrhsYyp6
Name 4-MEC TFA
Classification Cathinone analog designer drug derivative
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 287.113313246 u
Formula C14H16F3NO2
InChI InChI=1S/C14H16F3NO2/c1-4-18(13(20)14(15,16)17)10(3)12(19)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChIKey SUNKATVXNWARHS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 287.282 g/mol
Nominal Mass 287 u
Quality 993
Retention Index 1588
SMILES C(N(C(C(F)(F)F)=O)CC)(C(C=1C=CC(=CC1)C)=O)C
SPLASH splash10-014i-3900000000-97a10ed7547370d3e97e
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Methylethcathinone TFA 4'-Methylethcathinone TFA N-Trifluoroacetyl-2-ethylamino-1-(4-methylphenyl)propan-1-one
Technique GC/MS
Wiley ID DD2024_012229
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